II. |
Experimental thermochemical data
A. | Single molecule | ||
1. | All experimental data for one molecule | ||
2. | Types of data available for one molecule | ||
3. | Summary of geometry data for one molecule | ||
B. | Specific experimental properties | ||
1. | Atomization energies | ||
2. | Vibrational frequencies | ||
a. | Anharmonic constants for Diatomics | ||
b. | Anharmonic constants for Triatomics | ||
3. | Bond lengths | ||
4. | Bond angles | ||
5. | Rotational constants | ||
6. | Experimental barriers to internal rotation | ||
C. | Reference data | ||
1. | Thermodynamic reference states | ||
2. | List of electronic spin splitting corrections | ||
3. | List of species with experimental enthalpy of formation at 0K | ||
4. | Suggestions for species with well-defined experimental enthalpies of formation | ||
D. | One experimental property for several species | ||
1. | Enthalpy of formation | ||
2. | Entropy at 298.15K | ||
3. | Integrated Heat Capacity | ||
4. | Heat Capacity at 298.15K | ||
5. | Rotational Constants | ||
6. | Vibrational Frequencies | ||
7. | Electric dipole moment | ||
8. | Ionization Energy | ||
9. | Polarizability | ||
10. | Quadrupole | ||
11. | Point Group |